1-(Aminomethyl)-4,6-dimethoxy-2,3-dihydro-1H-inden-1-ol
Basic information
- CAS
1082399-77-6- Standard SMILES
COc1cc(OC)c2c(c1)C(O)(CN)CC2- InChIKey
FMDGNORLVGOKSX-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 1-(Aminomethyl)-4,6-dimethoxy-2,3-dihydro-1H-inden-1-ol
- IUPAC
- 1-(aminomethyl)-4,6-dimethoxy-2,3-dihydroinden-1-ol
Names & synonyms
1-(Aminomethyl)-4,6-dimethoxy-2,3-dihydro-1H-inden-1-ol1082399-77-6DTXSID3011961141H-Inden-1-ol, 1-(aminomethyl)-2,3-dihydro-4,6-dimethoxy-
Database identifiers
- CAS
1082399-77-6- PubChem CID
- 82024176
- DTXSID
DTXSID301196114
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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